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(5R,7S)-3,9-Dimethyl-5,7-bis(trifluoromethyl)-1-phenyl-2,6,10,11-tetraoxa-1-phospha(V)tri-cyclo-[5.3.1.0(1,5)]-undeca-3,8-diene

View entire compound with spectra: 1 MS (GC)

(5R,7S)-3,9-Dimethyl-5,7-bis(trifluoromethyl)-1-phenyl-2,6,10,11-tetraoxa-1-phospha(V)tri-cyclo-[5.3.1.0(1,5)]-undeca-3,8-diene
SpectraBase Compound ID JMZiSkJryZz
InChI InChI=1S/C16H13F6O4P/c1-10-8-13(15(17,18)19)25-14(16(20,21)22)9-11(2)24-27(14,23-10,26-13)12-6-4-3-5-7-12/h3-9H,1-2H3/t13-,14-/m1/s1
InChIKey KKPOPGXRCWVKLI-ZIAGYGMSSA-N
Mol Weight 414.24 g/mol
Molecular Formula C16H13F6O4P
Exact Mass 414.045565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ia9Qjdycn6D
Name (5R,7S)-3,9-Dimethyl-5,7-bis(trifluoromethyl)-1-phenyl-2,6,10,11-tetraoxa-1-phospha(V)tri-cyclo-[5.3.1.0(1,5)]-undeca-3,8-diene
Alternate Name(s) (3aR,5S)-2,7-dimethyl-9-phenyl-3a,5-bis(trifluoromethyl)-3a,9-dihydro-5H-9lambda5-5,9-epoxy[1,2]oxaphospholo[2,3-b][1,4,2]dioxaphosphepine
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Formula C16H13F6O4P
InChI InChI=1S/C16H13F6O4P/c1-10-8-13(15(17,18)19)25-14(16(20,21)22)9-11(2)24-27(14,23-10,26-13)12-6-4-3-5-7-12/h3-9H,1-2H3/t13-,14-/m1/s1
InChIKey KKPOPGXRCWVKLI-ZIAGYGMSSA-N
Literature Reference DOI 10.1002_(SICI)1098-1071(1998)9_2_173
Molecular Weight 414.240 g/mol
SMILES [C@@]12(OP3(OC(=C[C@]3(O2)C(F)(F)F)C)(OC(=C1)C)c1ccccc1)C(F)(F)F
SPLASH splash10-03xu-9114400000-c0274715b22873bb8417
Source of Spectrum HAC-9-180-8g
Wiley ID 1783129